2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine

C12H14N2S — CID 91309497

IUPAC2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine
SMILESCSC(C)(C)c1ccc2ncccc2n1
InChIInChI=1S/C12H14N2S/c1-12(2,15-3)11-7-6-9-10(14-11)5-4-8-13-9/h4-8H,1-3H3
InChIKeyXZGLPGCCPFPUFJ-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.23
Rot. Bonds2

About 2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine

2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine (PubChem CID 91309497) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine
PubChem CID91309497
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine
SMILESCSC(C)(C)c1ccc2ncccc2n1
InChIInChI=1S/C12H14N2S/c1-12(2,15-3)11-7-6-9-10(14-11)5-4-8-13-9/h4-8H,1-3H3
InChIKeyXZGLPGCCPFPUFJ-UHFFFAOYSA-N
XLogP3.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N-dimethyl-3-(1,5-naphthyridin-2-yl)butane-1,3-diamine
CID 69131245
iridium(3+);1,5-naphthyridine
CID 175728214
bis(2,2-dimethylpropane);ethane;quinoline
CID 159309624
ethane;1,5-naphthyridine;propane
CID 142434189
2-(2-methylpropyl)-1,5-naphthyridine
CID 58854024
quinoline;quinoxaline
CID 66672759
2-[tris(methylsulfanyl)methyl]quinoline
CID 23583859
dilithium;carbanide;2,6-dimethyl-1,5-naphthyridine;2,7-dimethyl-1,8-naphthyridine;2-methyl-1,5-naphthyridine;2-methyl-1,8-naphthyridine
CID 161266396
5,6-bis(tert-butylsulfanyl)quinoline
CID 102461785
6-tert-butylquinoline;7-tert-butylquinoline
CID 159076219
quinoline
CID 76974643
4-(1-hydroxy-1-quinolin-6-ylethyl)phenol
CID 83076007

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine?
The IUPAC name of 2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine (CID 91309497) is 2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine.
What is the SMILES notation for 2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine?
The canonical SMILES for 2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine is CSC(C)(C)c1ccc2ncccc2n1.
What is the InChIKey of 2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine?
The InChIKey is XZGLPGCCPFPUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-12(2,15-3)11-7-6-9-10(14-11)5-4-8-13-9/h4-8H,1-3H3.
What are the key properties of 2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine?
2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine has a molecular weight of 218.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine is sourced from PubChem (CID 91309497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).